NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type item_count
519860 2lfs 17776 cing 2-parsed STAR dipolar coupling 54


data_2lfs_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lfs 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_2lfs   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lfs 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   2lfs   "Master copy"    parsed_2lfs   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lfs 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   2lfs.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1546   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      54   parsed_2lfs   1   
        1   2lfs.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2lfs   1   
        1   2lfs.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lfs   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lfs 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            3 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.0   .   .   .   .   A   285   .   HN   A   285   .   N   parsed_2lfs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.5   .   .   .   .   A   287   .   HN   A   287   .   N   parsed_2lfs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.5   .   .   .   .   A   288   .   HN   A   288   .   N   parsed_2lfs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   A   289   .   HN   A   289   .   N   parsed_2lfs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.8   .   .   .   .   A   291   .   HN   A   291   .   N   parsed_2lfs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.4   .   .   .   .   A   292   .   HN   A   292   .   N   parsed_2lfs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.4   .   .   .   .   A   293   .   HN   A   293   .   N   parsed_2lfs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.0   .   .   .   .   A   294   .   HN   A   294   .   N   parsed_2lfs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.1   .   .   .   .   A   296   .   HN   A   296   .   N   parsed_2lfs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.0   .   .   .   .   A   297   .   HN   A   297   .   N   parsed_2lfs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.5   .   .   .   .   A   299   .   HN   A   299   .   N   parsed_2lfs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8   .   .   .   .   A   300   .   HN   A   300   .   N   parsed_2lfs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.5   .   .   .   .   A   301   .   HN   A   301   .   N   parsed_2lfs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.9   .   .   .   .   A   302   .   HN   A   302   .   N   parsed_2lfs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.7   .   .   .   .   A   304   .   HN   A   304   .   N   parsed_2lfs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.0   .   .   .   .   A   305   .   HN   A   305   .   N   parsed_2lfs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3   .   .   .   .   A   307   .   HN   A   307   .   N   parsed_2lfs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.0   .   .   .   .   A   311   .   HN   A   311   .   N   parsed_2lfs   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.8   .   .   .   .   A   312   .   HN   A   312   .   N   parsed_2lfs   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   A   315   .   HN   A   315   .   N   parsed_2lfs   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.7   .   .   .   .   A   316   .   HN   A   316   .   N   parsed_2lfs   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.6   .   .   .   .   A   318   .   HN   A   318   .   N   parsed_2lfs   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.4   .   .   .   .   A   320   .   HN   A   320   .   N   parsed_2lfs   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.3   .   .   .   .   A   321   .   HN   A   321   .   N   parsed_2lfs   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.8   .   .   .   .   A   322   .   HN   A   322   .   N   parsed_2lfs   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.1   .   .   .   .   A   323   .   HN   A   323   .   N   parsed_2lfs   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.8   .   .   .   .   A   327   .   HN   A   327   .   N   parsed_2lfs   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.0   .   .   .   .   B   285   .   HN   B   285   .   N   parsed_2lfs   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.5   .   .   .   .   B   287   .   HN   B   287   .   N   parsed_2lfs   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.5   .   .   .   .   B   288   .   HN   B   288   .   N   parsed_2lfs   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   B   289   .   HN   B   289   .   N   parsed_2lfs   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.8   .   .   .   .   B   291   .   HN   B   291   .   N   parsed_2lfs   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.4   .   .   .   .   B   292   .   HN   B   292   .   N   parsed_2lfs   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.4   .   .   .   .   B   293   .   HN   B   293   .   N   parsed_2lfs   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.0   .   .   .   .   B   294   .   HN   B   294   .   N   parsed_2lfs   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.1   .   .   .   .   B   296   .   HN   B   296   .   N   parsed_2lfs   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.0   .   .   .   .   B   297   .   HN   B   297   .   N   parsed_2lfs   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.5   .   .   .   .   B   299   .   HN   B   299   .   N   parsed_2lfs   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8   .   .   .   .   B   300   .   HN   B   300   .   N   parsed_2lfs   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.5   .   .   .   .   B   301   .   HN   B   301   .   N   parsed_2lfs   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.9   .   .   .   .   B   302   .   HN   B   302   .   N   parsed_2lfs   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.7   .   .   .   .   B   304   .   HN   B   304   .   N   parsed_2lfs   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.0   .   .   .   .   B   305   .   HN   B   305   .   N   parsed_2lfs   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3   .   .   .   .   B   307   .   HN   B   307   .   N   parsed_2lfs   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.0   .   .   .   .   B   311   .   HN   B   311   .   N   parsed_2lfs   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.8   .   .   .   .   B   312   .   HN   B   312   .   N   parsed_2lfs   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.2   .   .   .   .   B   315   .   HN   B   315   .   N   parsed_2lfs   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.7   .   .   .   .   B   316   .   HN   B   316   .   N   parsed_2lfs   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.6   .   .   .   .   B   318   .   HN   B   318   .   N   parsed_2lfs   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.4   .   .   .   .   B   320   .   HN   B   320   .   N   parsed_2lfs   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.3   .   .   .   .   B   321   .   HN   B   321   .   N   parsed_2lfs   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.8   .   .   .   .   B   322   .   HN   B   322   .   N   parsed_2lfs   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.1   .   .   .   .   B   323   .   HN   B   323   .   N   parsed_2lfs   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.8   .   .   .   .   B   327   .   HN   B   327   .   N   parsed_2lfs   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   
;
!!  RDC Restraints
! HAMP domain
;
   1   1   3   15   parsed_2lfs   1   
    stop_

save_





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